CeCoAl₃ [Pmma] · POLARIS @ ISIS

Fit result

Overall status	Success
time	0.6 s
iterations	4
reduced χ²	2.89
Rwp	2.10 %
Rwp, polaris	2.10 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cecoal	cell		length_a	Å	7.65166	7.6514	0.0007
2	cecoal	cell		length_b	Å	4.05166	4.0516	0.0004
3	cecoal	cell		length_c	Å	6.90582	6.9057	0.0006
4	cecoal	atom_site	Ce	fract_z		0.382532	0.38235	0.00017
5	cecoal	atom_site	Ce	adp_iso	Å²	0.5	0.440	0.016	12.0% ↓
6	cecoal	atom_site	Co	fract_z		0.814822	0.8153	0.0004	0.1% ↑
7	cecoal	atom_site	Co	adp_iso	Å²	0.5	0.33	0.03	33.2% ↓
8	cecoal	atom_site	Al1	adp_iso	Å²	0.5	0.61	0.02	21.0% ↑
9	cecoal	atom_site	Al2	fract_z		0.0430869	0.0432	0.0003	0.3% ↑
10	cecoal	atom_site	Al2	adp_iso	Å²	0.5	0.56	0.03	12.8% ↑
11	cecoal	atom_site	Al3	fract_x		0.0697762	0.06958	0.00015	0.3% ↓
12	cecoal	atom_site	Al3	fract_z		0.701357	0.70167	0.00017
13	cecoal	atom_site	Al3	adp_iso	Å²	0.5	0.469	0.014	6.2% ↓
14	polaris	peak		broad_gauss_sigma_1	µs²/Å²	44.9092	45	3	1.0% ↑
15	polaris	peak		broad_lorentz_gamma_1	µs/Å	4.4624	4.4	0.4	1.4% ↓
16	polaris	instrument		calib_d_to_tof_offset	µs	3.5018	3.6	0.4	1.8% ↑
17	polaris	instrument		calib_d_to_tof_quadratic	µs/Å²	-2.09652	-2.04	0.18	2.7% ↑
18	polaris	linked_structure	cecoal	scale		1.55×10⁴	1.5360×10⁴	0.0100×10⁴	0.9% ↓
19	polaris	background	1	coef		2.67×10⁴	2.6690×10⁴	0.0150×10⁴
20	polaris	background	2	coef		4.46×10³	4.500×10³	0.300×10³	1.7% ↑
21	polaris	background	3	coef		2.91×10³	2.900×10³	0.300×10³	1.2% ↓
22	polaris	background	4	coef		-92.7371	-100	300	40.2% ↑
23	polaris	background	5	coef		568.594	600	300	2.3% ↑
24	polaris	background	6	coef		345.847	400	300	13.0% ↑
25	polaris	background	7	coef		345.836	400	300	14.2% ↑
26	polaris	background	8	coef		135.247	200	200	36.1% ↑
27	polaris	background	9	coef		326.767	350	180	8.5% ↑
28	polaris	background	10	coef		601.765	650	150	7.2% ↑
29	polaris	background	11	coef		477.398	530	100	10.2% ↑
30	polaris	background	12	coef		125.448	160	50	27.0% ↑

startthe value before the fit
valuethe fitted value
s.u.its standard uncertainty
changehow far the fit moved it, in % of the start: ↑ up, ↓ down